UCSF

ZINC22455413

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.62 1.39 -47.9 2 5 1 48 256.37 3
Mid Mid (pH 6-8) -0.62 -0.87 -11.87 1 5 0 47 255.362 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )